5-methyl-N-pent-3-ynylthiolan-3-amine

C10H17NS — CID 116642802

IUPAC5-methyl-N-pent-3-ynylthiolan-3-amine
SMILESCC#CCCNC1CSC(C)C1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-11-10-7-9(2)12-8-10/h9-11H,5-8H2,1-2H3
InChIKeyZJFFWMFONAGQTD-UHFFFAOYSA-N
MW183.32 g/mol
LogP1.88
Rot. Bonds3

About 5-methyl-N-pent-3-ynylthiolan-3-amine

5-methyl-N-pent-3-ynylthiolan-3-amine (PubChem CID 116642802) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-methyl-N-pent-3-ynylthiolan-3-amine.

Molecular Properties

Compound Name5-methyl-N-pent-3-ynylthiolan-3-amine
PubChem CID116642802
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-methyl-N-pent-3-ynylthiolan-3-amine
SMILESCC#CCCNC1CSC(C)C1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-11-10-7-9(2)12-8-10/h9-11H,5-8H2,1-2H3
InChIKeyZJFFWMFONAGQTD-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Thiazolidine, 2-(3-pentynyl)-
CID 3058774
2-(But-3-yn-1-yl)-2-methyl-1,3-thiazolidine
CID 3058779
2-Methyl-2-(pent-4-yn-1-yl)-1,3-thiazolidine
CID 3058786
2-Methyl-2-(pent-3-yn-1-yl)-1,3-thiazolidine
CID 3058788
Thiazolidine, 2-(5-hexynyl)-2-methyl-
CID 3058792
(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine
CID 11041899
2-methyl-N-(4,4,4-trifluorobutyl)thiolan-3-amine
CID 102672387
5-methyl-N-(4,4,4-trifluorobutan-2-yl)thiolan-3-amine
CID 105931985
5-methyl-N-(4,4,4-trifluorobutyl)thiolan-3-amine
CID 115516379
N-(3-fluoropropyl)-2-methylthiolan-3-amine
CID 130171857
N-(3-fluoropropyl)-5-methylthiolan-3-amine
CID 130503804
N-(1-fluoropropan-2-yl)-2-methylthiolan-3-amine
CID 131155377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pent-3-ynylthiolan-3-amine?
The IUPAC name of 5-methyl-N-pent-3-ynylthiolan-3-amine (CID 116642802) is 5-methyl-N-pent-3-ynylthiolan-3-amine.
What is the SMILES notation for 5-methyl-N-pent-3-ynylthiolan-3-amine?
The canonical SMILES for 5-methyl-N-pent-3-ynylthiolan-3-amine is CC#CCCNC1CSC(C)C1.
What is the InChIKey of 5-methyl-N-pent-3-ynylthiolan-3-amine?
The InChIKey is ZJFFWMFONAGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-11-10-7-9(2)12-8-10/h9-11H,5-8H2,1-2H3.
What are the key properties of 5-methyl-N-pent-3-ynylthiolan-3-amine?
5-methyl-N-pent-3-ynylthiolan-3-amine has a molecular weight of 183.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pent-3-ynylthiolan-3-amine is sourced from PubChem (CID 116642802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).